Vibrational analysis of the inelastic neutron scattering spectrum of tetracyanoethylene–hexamethylbenzene by electronic structure calculations
Author:
Publisher
Elsevier BV
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Biochemistry
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1. First-principles modeling of molecular crystals: structures and stabilities, temperature and pressure;Wiley Interdisciplinary Reviews: Computational Molecular Science;2016-12-19
2. Vibrational Spectroscopy via Inelastic Neutron Scattering;Frontiers of Molecular Spectroscopy;2009
3. MP2 and DFT study of IR spectra of TCNE-methylsubstituted benzene complexes: Is charge transfer important?;International Journal of Quantum Chemistry;2009
4. Inelastic neutron scattering and DFT study of 1,6-anhydro-β-d-glucopyranose (levoglucosan);Journal of Molecular Structure;2008-02
5. MP2, DFT-D, and PCM study of the HMB–TCNE complex: Thermodynamics, electric properties, and solvent effects;International Journal of Quantum Chemistry;2008
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